7-(difluoromethyl)-3-ethyl-4H-pyrazolo[1,5-a]pyrimidin-5-one

C9H9F2N3O — CID 165483682

IUPAC7-(difluoromethyl)-3-ethyl-4H-pyrazolo[1,5-a]pyrimidin-5-one
SMILESCCc1cnn2c(C(F)F)cc(=O)[nH]c12
InChIInChI=1S/C9H9F2N3O/c1-2-5-4-12-14-6(8(10)11)3-7(15)13-9(5)14/h3-4,8H,2H2,1H3,(H,13,15)
InChIKeyVGODJUNPJIIDER-UHFFFAOYSA-N
MW213.19 g/mol
LogP1.52
Rot. Bonds2

About 7-(difluoromethyl)-3-ethyl-4H-pyrazolo[1,5-a]pyrimidin-5-one

7-(difluoromethyl)-3-ethyl-4H-pyrazolo[1,5-a]pyrimidin-5-one (PubChem CID 165483682) has the molecular formula C9H9F2N3O and a molecular weight of 213.19 g/mol. Its IUPAC name is 7-(difluoromethyl)-3-ethyl-4H-pyrazolo[1,5-a]pyrimidin-5-one.

Molecular Properties

Compound Name7-(difluoromethyl)-3-ethyl-4H-pyrazolo[1,5-a]pyrimidin-5-one
PubChem CID165483682
Molecular FormulaC9H9F2N3O
Molecular Weight213.19 g/mol
Exact Mass213.07
IUPAC Name7-(difluoromethyl)-3-ethyl-4H-pyrazolo[1,5-a]pyrimidin-5-one
SMILESCCc1cnn2c(C(F)F)cc(=O)[nH]c12
InChIInChI=1S/C9H9F2N3O/c1-2-5-4-12-14-6(8(10)11)3-7(15)13-9(5)14/h3-4,8H,2H2,1H3,(H,13,15)
InChIKeyVGODJUNPJIIDER-UHFFFAOYSA-N
XLogP1.52
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.19
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

US10118930, Example 265
CID 137018641
4-methyl-1-(propan-2-yl)-1H,6H,7H-pyrazolo[3,4-b]pyridin-6-one
CID 135600421
1,7-Dihydro-4-methyl-1-(2-methylpropyl)-6H-pyrazolo[3,4-b]pyridin-6-one
CID 135600423
1-(butan-2-yl)-4-methyl-1H,6H,7H-pyrazolo(3,4-b)pyridin-6-one
CID 135600424
7-(Trifluoromethyl)pyrazolo[1,5-A]pyrimidin-5(4H)-one
CID 137230937
2-methyl-4-(trifluoromethyl)-2,7-dihydro-6H-pyrazolo[3,4-b]pyridin-6-one
CID 135646630
N-[1-propan-2-yl-4-(3,3,3-trifluoroprop-1-en-2-yl)pyrazol-5-yl]acetamide
CID 126758512
1-ethyl-1,7-dihydro-4-(trifluoromethyl)-6H-pyrazolo[3,4-b]pyridin-6-one
CID 135783976
7-(Difluoromethyl)-4,5-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 142749010
6-(fluoromethyl)-1-methyl-7H-pyrazolo[5,4-b]pyridin-4-one
CID 156793360
3-ethyl-6-fluoro-7-hydroxy-4H,5H-pyrazolo[1,5-a]pyrimidin-5-one
CID 165603899
N-(3-ethyl-5-oxo-4H-pyrazolo[1,5-a]pyrimidin-2-yl)-2,2,2-trifluoroacetamide
CID 178179227

Frequently Asked Questions

What is the IUPAC name of 7-(difluoromethyl)-3-ethyl-4H-pyrazolo[1,5-a]pyrimidin-5-one?
The IUPAC name of 7-(difluoromethyl)-3-ethyl-4H-pyrazolo[1,5-a]pyrimidin-5-one (CID 165483682) is 7-(difluoromethyl)-3-ethyl-4H-pyrazolo[1,5-a]pyrimidin-5-one.
What is the SMILES notation for 7-(difluoromethyl)-3-ethyl-4H-pyrazolo[1,5-a]pyrimidin-5-one?
The canonical SMILES for 7-(difluoromethyl)-3-ethyl-4H-pyrazolo[1,5-a]pyrimidin-5-one is CCc1cnn2c(C(F)F)cc(=O)[nH]c12.
What is the InChIKey of 7-(difluoromethyl)-3-ethyl-4H-pyrazolo[1,5-a]pyrimidin-5-one?
The InChIKey is VGODJUNPJIIDER-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F2N3O/c1-2-5-4-12-14-6(8(10)11)3-7(15)13-9(5)14/h3-4,8H,2H2,1H3,(H,13,15).
What are the key properties of 7-(difluoromethyl)-3-ethyl-4H-pyrazolo[1,5-a]pyrimidin-5-one?
7-(difluoromethyl)-3-ethyl-4H-pyrazolo[1,5-a]pyrimidin-5-one has a molecular weight of 213.19 g/mol, XLogP of 1.52, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(difluoromethyl)-3-ethyl-4H-pyrazolo[1,5-a]pyrimidin-5-one is sourced from PubChem (CID 165483682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).